[(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

C19H12Cl2N2O4 — CID 6977752

IUPAC[(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O[C@@H]1C(=O)Nc2ccccc21
InChIInChI=1S/C19H12Cl2N2O4/c1-9-14(16(23-27-9)15-11(20)6-4-7-12(15)21)19(25)26-17-10-5-2-3-8-13(10)22-18(17)24/h2-8,17H,1H3,(H,22,24)/t17-/m0/s1
InChIKeyJSBJKIZATXKFMQ-KRWDZBQOSA-N
MW403.22 g/mol
LogP4.81
Rot. Bonds3

About [(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

[(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 6977752) has the molecular formula C19H12Cl2N2O4 and a molecular weight of 403.22 g/mol. Its IUPAC name is [(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID6977752
Molecular FormulaC19H12Cl2N2O4
Molecular Weight403.22 g/mol
Exact Mass402.02
IUPAC Name[(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O[C@@H]1C(=O)Nc2ccccc21
InChIInChI=1S/C19H12Cl2N2O4/c1-9-14(16(23-27-9)15-11(20)6-4-7-12(15)21)19(25)26-17-10-5-2-3-8-13(10)22-18(17)24/h2-8,17H,1H3,(H,22,24)/t17-/m0/s1
InChIKeyJSBJKIZATXKFMQ-KRWDZBQOSA-N
XLogP4.81
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.22
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CID 6977752) is [(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O[C@@H]1C(=O)Nc2ccccc21.
What is the InChIKey of [(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is JSBJKIZATXKFMQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H12Cl2N2O4/c1-9-14(16(23-27-9)15-11(20)6-4-7-12(15)21)19(25)26-17-10-5-2-3-8-13(10)22-18(17)24/h2-8,17H,1H3,(H,22,24)/t17-/m0/s1.
What are the key properties of [(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
[(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 403.22 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxo-1,3-dihydroindol-3-yl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 6977752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).